SCHEMBL5501692

SCHEMBL5501692

Cc1nc2c(N)ccc(N(C)C)c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CHEK1 O14757 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
ADORA1 P30542 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5504663 0.84 SMN1; SMN2 (0.42) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL5504749 0.82 KDM4E (0.43) TLR8TLR7MAPK1KDM4EHSD17B10
SCHEMBL5501897 0.81 TLR8 (0.47) TLR8TLR7MAPK1KDM4EHSD17B10
SCHEMBL5505358 0.80 MAPK1 (0.38) TLR8TLR7MAPK1KDM4EHSD17B10
SCHEMBL5506021 0.79 DYRK1A (0.35) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29199119 0.71 TLR8 (0.45) TLR8TLR7MAPK1KDM4EHSD17B10
SCHEMBL5510822 0.70 SMN1; SMN2 (0.42) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL5504755 0.69 HTT (0.35) GAAHTT
SCHEMBL5504273 0.69 ALDH1A1 (0.49) TLR8TLR7MAPK1KDM4EHSD17B10
SCHEMBL5510300 0.69 KDM4E (0.40) TLR8TLR7MAPK1KDM4EHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP claimed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO claimed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 US claimed
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP disclosed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO disclosed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, DSP, KRTCAP2 TLR8 3044/4885TLR7 2980/4885CHEK1 1251/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.